Molecule ID: mol37780

SMILES: O=C1O[C@H]([C@@H](O)CO)C(ON=Nc2ccc([N+](=O)[O-])cc2)=C1O

InChI: InChI=1S/C12H11N3O8/c16-5-8(17)10-11(9(18)12(19)22-10)23-14-13-6-1-3-7(4-2-6)15(20)21/h1-4,8,10,16-18H,5H2/t8-,10+/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.20 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization